SCHEMBL8562535

SCHEMBL8562535

COC(=O)[C@H]1CNc2ccccc2C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.53
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 4/20 0.40
ALDH1A1 P00352 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
FAAH O00519 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2031526 1.00 EPHX2 (0.53) EPHX2MTNR1AMTNR1BGAAMAPT
SCHEMBL8562539 1.00 EPHX2 (0.53) EPHX2MTNR1AMTNR1BGAAMAPT
SCHEMBL8563701 0.85 EPHX2 (0.61) EPHX2MTNR1AMTNR1BGAAMAPT
SCHEMBL8563697 0.85 EPHX2 (0.61) EPHX2MTNR1AMTNR1BGAAMAPT
SCHEMBL8563699 0.85 EPHX2 (0.61) EPHX2MTNR1AMTNR1BGAAMAPT
SCHEMBL8564153 0.84 EPHX2 (0.47) EPHX2MTNR1AMTNR1BGAAMAPT
SCHEMBL8564160 0.84 EPHX2 (0.47) EPHX2MTNR1AMTNR1BGAAMAPT
SCHEMBL8567787 0.84 MTNR1A (0.49) EPHX2MTNR1AMTNR1BMAPTKMT2A
SCHEMBL8567784 0.84 MTNR1A (0.49) EPHX2MTNR1AMTNR1BMAPTKMT2A
SCHEMBL431522 0.84 MTNR1A (0.49) EPHX2MTNR1AMTNR1BMAPTKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed
EP-0702004-A2 2,9-diamino- and 2-amino-8-carbamoyl-4-hydroxy-alkanoic acid amid derivatives CIBA-GEIGY AG (CH) 1996-03-20 EP disclosed